(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol

C16H24O2 — CID 170250105

IUPAC(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol
SMILESCC/C=C\C[C@H](O)C#CCCC#C[C@@H](O)CCC
InChIInChI=1S/C16H24O2/c1-3-5-8-12-16(18)14-10-7-6-9-13-15(17)11-4-2/h5,8,15-18H,3-4,6-7,11-12H2,1-2H3/b8-5-/t15-,16-/m0/s1
InChIKeyOUDXIWDULQLJGE-QBGJIXDNSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds6

About (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol

(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol (PubChem CID 170250105) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol.

Molecular Properties

Compound Name(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol
PubChem CID170250105
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol
SMILESCC/C=C\C[C@H](O)C#CCCC#C[C@@H](O)CCC
InChIInChI=1S/C16H24O2/c1-3-5-8-12-16(18)14-10-7-6-9-13-15(17)11-4-2/h5,8,15-18H,3-4,6-7,11-12H2,1-2H3/b8-5-/t15-,16-/m0/s1
InChIKeyOUDXIWDULQLJGE-QBGJIXDNSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadec-13-en-5-yn-7-ol
CID 71428203
methyl 5-hydroxydec-7-en-3-ynoate
CID 175764044
(7S,9Z,12Z)-7-hydroxyoctadeca-9,12-dien-5-ynoic acid
CID 162849692
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
(2R)-hept-3-yn-2-ol
CID 11457676
icosa-6,15-diyn-5-ol
CID 18710567
(3R,4E,6E,10S,12Z)-pentadeca-4,6,12-trien-8-yne-1,3,10-triol
CID 169074622
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
undeca-4,7-diyn-6-ol
CID 15932781
(3R)-hex-1-yn-3-ol
CID 6999992
(6S)-6-hydroxydec-4-ynoic acid
CID 162981215

Frequently Asked Questions

What is the IUPAC name of (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol?
The IUPAC name of (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol (CID 170250105) is (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol.
What is the SMILES notation for (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol?
The canonical SMILES for (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol is CC/C=C\C[C@H](O)C#CCCC#C[C@@H](O)CCC.
What is the InChIKey of (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol?
The InChIKey is OUDXIWDULQLJGE-QBGJIXDNSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-8-12-16(18)14-10-7-6-9-13-15(17)11-4-2/h5,8,15-18H,3-4,6-7,11-12H2,1-2H3/b8-5-/t15-,16-/m0/s1.
What are the key properties of (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol?
(Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol has a molecular weight of 248.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S,11S)-hexadec-13-en-5,9-diyne-4,11-diol is sourced from PubChem (CID 170250105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).